1-[1-[1-(4-fluorophenyl)propyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride

C16H26ClFN2 — CID 119922604

IUPAC1-[1-[1-(4-fluorophenyl)propyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
SMILESCCC(c1ccc(F)cc1)N1CCC(CNC)CC1.Cl
InChIInChI=1S/C16H25FN2.ClH/c1-3-16(14-4-6-15(17)7-5-14)19-10-8-13(9-11-19)12-18-2;/h4-7,13,16,18H,3,8-12H2,1-2H3;1H
InChIKeyWEVLGVHNRSPMQW-UHFFFAOYSA-N
MW300.85 g/mol
LogP3.63
Rot. Bonds5

About 1-[1-[1-(4-fluorophenyl)propyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride

1-[1-[1-(4-fluorophenyl)propyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride (PubChem CID 119922604) has the molecular formula C16H26ClFN2 and a molecular weight of 300.85 g/mol. Its IUPAC name is 1-[1-[1-(4-fluorophenyl)propyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-[1-(4-fluorophenyl)propyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
PubChem CID119922604
Molecular FormulaC16H26ClFN2
Molecular Weight300.85 g/mol
Exact Mass300.18
IUPAC Name1-[1-[1-(4-fluorophenyl)propyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
SMILESCCC(c1ccc(F)cc1)N1CCC(CNC)CC1.Cl
InChIInChI=1S/C16H25FN2.ClH/c1-3-16(14-4-6-15(17)7-5-14)19-10-8-13(9-11-19)12-18-2;/h4-7,13,16,18H,3,8-12H2,1-2H3;1H
InChIKeyWEVLGVHNRSPMQW-UHFFFAOYSA-N
XLogP3.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.85
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[1-(5-fluoro-2-pyridinyl)propyl]piperidin-4-yl]-N-methylmethanamine
CID 112585626
1-[1-[2-(4-fluorophenyl)propyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 120838983
methyl (2S)-2-[1-[(1R)-1-(4-fluorophenyl)propyl]piperidin-4-yl]-2-hydroxyacetate
CID 97238847
N-[[1-[1-(4-methylphenyl)propyl]piperidin-4-yl]methyl]ethanamine
CID 80550733
1-[(1R)-1-(4-fluorophenyl)propyl]piperazine
CID 28798751
1-[1-[1-(3,4-difluorophenyl)ethyl]piperidin-4-yl]-N-methylmethanamine
CID 55175672
N-methyl-1-[1-[1-(4-methylphenyl)propyl]piperidin-3-yl]methanamine
CID 61205988
2-(4-fluorophenyl)-N-methyl-2-pyrrolidin-1-ylethanamine
CID 22692501
1-[1-(4-chlorophenyl)propyl]piperidin-4-amine;hydrochloride
CID 119908754
N-methyl-1-[1-[1-(4-propylphenyl)ethyl]piperidin-4-yl]methanamine
CID 63250634
1-[1-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-4-yl]-N-methylmethanamine
CID 83124667
1-[1-[1-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methylmethanamine
CID 63251056

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(4-fluorophenyl)propyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-[1-[1-(4-fluorophenyl)propyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride (CID 119922604) is 1-[1-[1-(4-fluorophenyl)propyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-[1-[1-(4-fluorophenyl)propyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-[1-[1-(4-fluorophenyl)propyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride is CCC(c1ccc(F)cc1)N1CCC(CNC)CC1.Cl.
What is the InChIKey of 1-[1-[1-(4-fluorophenyl)propyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride?
The InChIKey is WEVLGVHNRSPMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2.ClH/c1-3-16(14-4-6-15(17)7-5-14)19-10-8-13(9-11-19)12-18-2;/h4-7,13,16,18H,3,8-12H2,1-2H3;1H.
What are the key properties of 1-[1-[1-(4-fluorophenyl)propyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride?
1-[1-[1-(4-fluorophenyl)propyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride has a molecular weight of 300.85 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(4-fluorophenyl)propyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 119922604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).